SCHEMBL3170730

SCHEMBL3170730

[2H]C([2H])([2H])Oc1c(Cl)ccnc1C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
CYP2A6 P11509 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30230932 0.86 MAOA (0.48) MAOACYP2A6
SCHEMBL900450 0.86 MAOA (0.48) MAOACYP2A6
SCHEMBL3185529 0.77 MAOA (0.37) MAOACYP2A6
SCHEMBL3185755 0.75 DYRK1A (0.35)
Hydrochloric Acid SCHEMBL3186456 0.75
SCHEMBL4573388 0.74 ALDH1A1 (0.40) MAOA
SCHEMBL26241631 0.72 MAOA (0.33) MAOA
SCHEMBL9267934 0.70 MAOA (0.35) MAOA
SCHEMBL9261093 0.70 ADRA2A (0.33) MAOA
SCHEMBL9261097 0.70 MAOA (0.40) MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022779-A1 Isotopically substituted proton pump inhibitors NYCOMED GMBH (DE) 2010-01-28 US disclosed
US-20100010047-A1 Isotopically substituted proton pump inhibitors TAKEDA GMBH (DE) 2010-01-14 US disclosed
US-7601737-B2 2-Pyridinyl)methylsulfinyl]-1H-benzimidazole derivatives; substituents include methoxy and difluoromethoxy; at least one alkyl hydrogen is replaced by a deuterium atom: 5-difluoromethoxy-2-[(3-methoxy-4-monodeuteriomethoxy)-2-pyridinyl)methylsulfinyl]-1H-benzimidazole; gastrointestinal disorders NYCOMED GMBH (DE) 2009-10-13 US disclosed
US-20080146610-A1 2-Pyridinyl)methylsulfinyl]-1H-benzimidazole derivatives; substituents include methoxy and difluoromethoxy; at least one alkyl hydrogen is replaced by a deuterium atom: 5-difluoromethoxy-2-[(3-methoxy-4-monodeuteriomethoxy)-2-pyridinyl)methylsulfinyl]-1H-benzimidazole; gastrointestinal disorders NYCOMED GMBH (DE) 2008-06-19 US disclosed
EP-1912947-A1 ISOTOPICALLY SUBSTITUTED PANTOPRAZOLE Nycomed GmbH (DE) 2008-04-23 EP disclosed
EP-1910293-A1 ISOTOPICALLY SUBSTITUTED PROTON PUMP INHIBITORS Nycomed GmbH (DE) 2008-04-16 EP disclosed
WO-2007012651-A1 ISOTOPICALLY SUBSTITUTED PANTOPRAZOLE NYCOMED GMBH (DE) 2007-02-01 WO disclosed
WO-2007012650-A1 ISOTOPICALLY SUBSTITUTED PROTON PUMP INHIBITORS NYCOMED GMBH (DE) 2007-02-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100022779-A1 Isotopically substituted proton pump inhibitors SLC10A2, ABCB11, SLC10A1 MAOA 1435/4885CYP2A6 101/4885
US-20080146610-A1 2-Pyridinyl)methylsulfinyl]-1H-benzimidazole derivatives; substituents include methoxy and difluoromethoxy; at least one alkyl hydrogen is replaced by a deuterium atom: 5-difluoromethoxy-2-[(3-methoxy-4-monodeuteriomethoxy)-2-pyridinyl)methylsulfinyl]-1H-benzimidazole; gastrointestinal disorders SLC10A2, CYP2J2, CYP2D6 MAOA 1499/4885CYP2A6 61/4885
US-20100010047-A1 Isotopically substituted proton pump inhibitors SLC10A2, ABCB11, SLC10A1 MAOA 1435/4885CYP2A6 101/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.